1-Iodobutane - ≥98%(GC), stabilized with copper , CAS No.542-69-8

CAS: 542-69-8 Cat. No.: I108560 분자식: C₄H₉I 분자량: 184.02 Beilstein Registry Number: 1420755 EC 번호: 208-824-4

GRADE & PURITY ≥98%(GC), stabilized with copper

Synonyms

NSC8420 | NSC-8420 | n-BuI | InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H | J-802249 | 1-Jodbutan [Czech] | SCHEMBL68454 | n-butyliodide | UNII-607A6CC46R | 4-iodobutane | N-BUTYL IODIDE [MI] | Q-200122 | F2190-0174 | N-BUTYL IODIDE | EN300-19286 | 1-Iodobutane | 1

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

개요

Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.
It was used in the synthesis of: S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol，5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol， N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide by reaction with 1-methylpyrrolidine in ethyl acetate.

Specifications

동의어

NSC8420 | NSC-8420 | n-BuI | InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H | J-802249 | 1-Jodbutan [Czech] | SCHEMBL68454 | n-butyliodide | UNII-607A6CC46R | 4-iodobutane | N-BUTYL IODIDE [MI] | Q-200122 | F2190-0174 | N-BUTYL IODIDE | EN300-19286 | 1-Iodobutane | 1

사양 및 순도

≥98%(GC), stabilized with copper

보관 조건

Protected from light,Room temperature,Argon charged,Desiccated

배송

FedEx DG Service

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504752036
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752036
• 정식 스마일: CCCCI
• IUPAC Name: 1-iodobutane
• InChIKey: KMGBZBJJOKUPIA-UHFFFAOYSA-N
• INCHI: 1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
• 이성체 SMILES: CCCCI
• WGK 독일: 3
• RTECS: EK4400000
• UN 번호: 1993
• 분자량: 184.02
• Beilstein: 1420755
• Reaxy-Rn: 1420755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1420755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Insoluble in water,soluble in diethyl ether and alcohol
• 감도: Light and Air Sensitive
• 굴절률: 1.4998
• 발화점(°F): 91.4 °F
• 발화점(°C): 33℃
• 끓는점(°C): 130.4°C
• 녹는점(°C): -103°C
• 분자량: 184.020 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 183.975 Da
• Monoisotopic Mass: 183.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Yun Peng, Jiayu Chang, Zhuangquan Xiao, Jiazong Huang, Ting Xu, Shangxing Chen, Guorong Fan, Shengliao Liao, Zongde Wang, Hai Luo.  (2022)  Synthesis and Antifungal Activity of Novel Tetrahydrogeranyl Quaternary Ammonium Salts.  Natural Product Communications,      [PMID:] [10.1177/1934578X221078452]

2. Xiao-Lei Man, Wei-Kang Peng, Jun Chen, Xue-Li Liu.  (2021)  Analysis of Molar Substitution of Hydroxybutyl Group by Zeisel Reaction in Starch Ethers.  MOLECULES,  26  (18): (5509).  [PMID:34576984] [10.3390/molecules26185509]

3. Xue Zhen Feng, Zhuanquan Xiao, Li Zhang, Shengliang Liao, Shangxing Chen, Hai Luo, Lu He, Guorong Fan, Zongde Wang.  (2020)  Antifungal Activity of β-Pinene-Based Hydronopyl Quaternary Ammonium Salts Against Phytopathogenic Fungi.  Natural Product Communications,      [PMID:] [10.1177/1934578X20948365]

4. Changjiu Sun, Jian Zhao, Deli Zhang, Hongge Guo, Xin Wang, Haiqing Hu.  (2020)  Covalent functionalization of boron nitride nanosheets via reductive activation.  Nanoscale,  12  (35): (18379-18389).  [PMID:32870231] [10.1039/D0NR02850A]

5. Fu Xianwei, Liu Yang, Liu Zhi, Dong Ning, Zhao Tianyu, Zhao Dan, Lian Gang, Wang Qilong, Cui Deliang.  (2018)  Pressure-sensitive transistor fabricated from an organic semiconductor 1,1′-dibutyl-4,4′-bipyridinium diiodide.  CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,  34  (1): (95-100).  [PMID:] [10.1007/s40242-018-7297-9]

6. Xueliang Li, Ming Zhang, Yue Wang, Xiaolei Wang, Hao Ma, Peng Li, Wei Song, Xiao Xia Han, Bing Zhao.  (2017)  Direct detection of fluoride ions in aquatic samples by surface-enhanced Raman scattering.  TALANTA,      [PMID:29136913] [10.1016/j.talanta.2017.08.101]

7. Hui Gao, Wenqi Niu, Chaoqun Huang, Yan Hong, Chengyin Shen, Hongmei Wang, Yan Lu, Xiaojing Chen, Lei Xia, Haihe Jiang, Yannan Chu.  (2014)  Rate constants of electron attachment to alkyl iodides measured by photoionization electron attachment ion mobility spectrometry (PI-EA-IMS).  INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,      [PMID:] [10.1016/j.ijms.2014.11.001]

8. Chaoyue Yang, Li Zhou, Qian Zhang, Ya Huang, Peixiao Zhang, Jingwen Xue, Qing Li, Weijie Sun, Jiayou Liao.  (2025)  Fabrication of Microphase-Separated Tröger’s Base Polymer Membranes for Oxygen Enrichment.  Membranes,  16  (1): (9).  [PMID:41590562] [10.3390/membranes16010009]

9. Kang Li, Yun Ding, Qing Mi, Qian Zhang, Xiaoyan Wei, Wanqi Wang, Yuan Sui, Ruizhi Hu, Bing Pan, Qing Yang.  (2026)  Preparation of polyaniline membranes considering hydration energy effects for the selective separation of monovalent cations.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2026.110750]